cyclopropyl 4-fluorobenzoate

C10H9FO2 — CID 126986458

IUPACcyclopropyl 4-fluorobenzoate
SMILESO=C(OC1CC1)c1ccc(F)cc1
InChIInChI=1S/C10H9FO2/c11-8-3-1-7(2-4-8)10(12)13-9-5-6-9/h1-4,9H,5-6H2
InChIKeyCWUVYUWAJWJBJK-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.14
Rot. Bonds2

About cyclopropyl 4-fluorobenzoate

cyclopropyl 4-fluorobenzoate (PubChem CID 126986458) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is cyclopropyl 4-fluorobenzoate.

Molecular Properties

Compound Namecyclopropyl 4-fluorobenzoate
PubChem CID126986458
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Namecyclopropyl 4-fluorobenzoate
SMILESO=C(OC1CC1)c1ccc(F)cc1
InChIInChI=1S/C10H9FO2/c11-8-3-1-7(2-4-8)10(12)13-9-5-6-9/h1-4,9H,5-6H2
InChIKeyCWUVYUWAJWJBJK-UHFFFAOYSA-N
XLogP2.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclopropyl 4-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopentyl 4-fluorobenzoate
CID 579482
piperidin-4-yl 4-fluorobenzoate
CID 22921983
(1-methylpiperidin-1-ium-4-yl) 4-fluorobenzoate
CID 7283235
cyclopropyl 4-hydroxybenzoate
CID 175929910
oxolan-3-yl 4-fluorobenzoate
CID 63663417
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-fluorobenzoate
CID 5147770
[(3R)-1-methylpiperidin-3-yl] 4-fluorobenzoate
CID 844358
cyclohexyl 4-[(4-fluorobenzoyl)amino]benzoate
CID 17128629
piperidin-4-yl 4-[(4-fluorobenzoyl)amino]benzoate;hydrochloride
CID 91645336
bis(4-aminocyclohexyl) benzene-1,4-dicarboxylate;propane
CID 70377044
[1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-fluorobenzoate
CID 18919757
(4-acetyloxycyclohexyl) 4-(trifluoromethyl)benzoate
CID 58289310

Frequently Asked Questions

What is the IUPAC name of cyclopropyl 4-fluorobenzoate?
The IUPAC name of cyclopropyl 4-fluorobenzoate (CID 126986458) is cyclopropyl 4-fluorobenzoate.
What is the SMILES notation for cyclopropyl 4-fluorobenzoate?
The canonical SMILES for cyclopropyl 4-fluorobenzoate is O=C(OC1CC1)c1ccc(F)cc1.
What is the InChIKey of cyclopropyl 4-fluorobenzoate?
The InChIKey is CWUVYUWAJWJBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c11-8-3-1-7(2-4-8)10(12)13-9-5-6-9/h1-4,9H,5-6H2.
What are the key properties of cyclopropyl 4-fluorobenzoate?
cyclopropyl 4-fluorobenzoate has a molecular weight of 180.18 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 4-fluorobenzoate is sourced from PubChem (CID 126986458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).